2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid

C19H27NO4 — CID 67330505

IUPAC2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid
SMILESCCCCC(C(=O)N1CCCCC1)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C19H27NO4/c1-2-3-7-17(19(23)20-12-5-4-6-13-20)15-8-10-16(11-9-15)24-14-18(21)22/h8-11,17H,2-7,12-14H2,1H3,(H,21,22)
InChIKeyWTNXZWVBZFXKED-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.44
Rot. Bonds8

About 2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid

2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid (PubChem CID 67330505) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid
PubChem CID67330505
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid
SMILESCCCCC(C(=O)N1CCCCC1)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C19H27NO4/c1-2-3-7-17(19(23)20-12-5-4-6-13-20)15-8-10-16(11-9-15)24-14-18(21)22/h8-11,17H,2-7,12-14H2,1H3,(H,21,22)
InChIKeyWTNXZWVBZFXKED-UHFFFAOYSA-N
XLogP3.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one
CID 67329090
1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834
2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 103599891
2-chloro-2-(4-propoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 62496445
2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone
CID 43186019
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
2-(4-docosoxyphenoxy)acetic acid
CID 139839551
2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid
CID 63772208
7-[4-(carboxymethoxy)phenyl]-2,2-dichlorododecanoic acid
CID 139781072
2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone
CID 43280073
N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119665267

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid (CID 67330505) is 2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid is CCCCC(C(=O)N1CCCCC1)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid?
The InChIKey is WTNXZWVBZFXKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-2-3-7-17(19(23)20-12-5-4-6-13-20)15-8-10-16(11-9-15)24-14-18(21)22/h8-11,17H,2-7,12-14H2,1H3,(H,21,22).
What are the key properties of 2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid?
2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid has a molecular weight of 333.43 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-oxo-1-piperidin-1-ylhexan-2-yl)phenoxy]acetic acid is sourced from PubChem (CID 67330505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).